2-(9-phenylcarbazol-4-yl)-5H-indeno[1,2-d]pyrimidine

C29H19N3 — CID 175232467

IUPAC2-(9-phenylcarbazol-4-yl)-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-n2c3ccccc3c3c(-c4ncc5c(n4)-c4ccccc4C5)cccc32)cc1
InChIInChI=1S/C29H19N3/c1-2-10-21(11-3-1)32-25-15-7-6-13-23(25)27-24(14-8-16-26(27)32)29-30-18-20-17-19-9-4-5-12-22(19)28(20)31-29/h1-16,18H,17H2
InChIKeyFKBUUJJXVPXONU-UHFFFAOYSA-N
MW409.49 g/mol
LogP6.81
Rot. Bonds2

About 2-(9-phenylcarbazol-4-yl)-5H-indeno[1,2-d]pyrimidine

2-(9-phenylcarbazol-4-yl)-5H-indeno[1,2-d]pyrimidine (PubChem CID 175232467) has the molecular formula C29H19N3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-(9-phenylcarbazol-4-yl)-5H-indeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name2-(9-phenylcarbazol-4-yl)-5H-indeno[1,2-d]pyrimidine
PubChem CID175232467
Molecular FormulaC29H19N3
Molecular Weight409.49 g/mol
Exact Mass409.16
IUPAC Name2-(9-phenylcarbazol-4-yl)-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-n2c3ccccc3c3c(-c4ncc5c(n4)-c4ccccc4C5)cccc32)cc1
InChIInChI=1S/C29H19N3/c1-2-10-21(11-3-1)32-25-15-7-6-13-23(25)27-24(14-8-16-26(27)32)29-30-18-20-17-19-9-4-5-12-22(19)28(20)31-29/h1-16,18H,17H2
InChIKeyFKBUUJJXVPXONU-UHFFFAOYSA-N
XLogP6.81
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-5H-indeno[1,2-d]pyrimidine
CID 158215535
9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122434437
2,4-diphenyl-8-[4-(9-phenylcarbazol-4-yl)phenyl]-5H-indeno[1,2-d]pyrimidine
CID 142551254
2-phenyl-7-[3-(9-phenylcarbazol-4-yl)phenyl]-4-(3-phenylphenyl)-5H-indeno[1,2-d]pyrimidine
CID 142551063
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146491338
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole
CID 155473781
4-(4-fluoranthen-3-ylnaphthalen-1-yl)-9-phenylcarbazole
CID 122434619
9-[7-(9H-fluoren-2-yl)-9H-fluoren-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170285115
9-phenyl-14-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134488188
4-(9-phenylcarbazol-4-yl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305706
22-phenyl-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 159131557
9-phenyl-4-[10-(9-phenylcarbazol-4-yl)perylen-3-yl]carbazole
CID 171428659

Frequently Asked Questions

What is the IUPAC name of 2-(9-phenylcarbazol-4-yl)-5H-indeno[1,2-d]pyrimidine?
The IUPAC name of 2-(9-phenylcarbazol-4-yl)-5H-indeno[1,2-d]pyrimidine (CID 175232467) is 2-(9-phenylcarbazol-4-yl)-5H-indeno[1,2-d]pyrimidine.
What is the SMILES notation for 2-(9-phenylcarbazol-4-yl)-5H-indeno[1,2-d]pyrimidine?
The canonical SMILES for 2-(9-phenylcarbazol-4-yl)-5H-indeno[1,2-d]pyrimidine is c1ccc(-n2c3ccccc3c3c(-c4ncc5c(n4)-c4ccccc4C5)cccc32)cc1.
What is the InChIKey of 2-(9-phenylcarbazol-4-yl)-5H-indeno[1,2-d]pyrimidine?
The InChIKey is FKBUUJJXVPXONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3/c1-2-10-21(11-3-1)32-25-15-7-6-13-23(25)27-24(14-8-16-26(27)32)29-30-18-20-17-19-9-4-5-12-22(19)28(20)31-29/h1-16,18H,17H2.
What are the key properties of 2-(9-phenylcarbazol-4-yl)-5H-indeno[1,2-d]pyrimidine?
2-(9-phenylcarbazol-4-yl)-5H-indeno[1,2-d]pyrimidine has a molecular weight of 409.49 g/mol, XLogP of 6.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-phenylcarbazol-4-yl)-5H-indeno[1,2-d]pyrimidine is sourced from PubChem (CID 175232467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).